SCHEMBL8976519

SCHEMBL8976519

CSc1ccc(NNc2cccc(NC(C)=O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 2/20 0.51
POLB P06746 2/20 0.51
NR4A1 P22736 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7044090 0.87 ALDH1A1 (0.64) PTGS2ALDH1A1HSD17B10POLBRAB9A
SCHEMBL5208634 0.82 MAPT (0.70) ALDH1A1HSD17B10CYP1A2POLBRAB9A
SCHEMBL3074944 0.81 ALDH1A1 (0.70) PTGS2ALDH1A1HSD17B10POLBRAB9A
SCHEMBL7213093 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2POLBNR4A1
SCHEMBL1901172 0.79 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2POLBNR4A1
SCHEMBL8976515 0.79 ALDH1A1 (0.73) PTGS2ALDH1A1HSD17B10CYP1A2POLB
SCHEMBL10217893 0.76 NOX1 (0.67) PTGS2ALDH1A1HSD17B10CYP1A2POLB
SCHEMBL11234944 0.76 SMN1; SMN2 (0.63) ALDH1A1HSD17B10CYP1A2POLBNR4A1
SCHEMBL11868133 0.75 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2POLBNR4A1
SCHEMBL7044085 0.73 ALDH1A1 (0.60) PTGS2ALDH1A1POLBRAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705295-A1 ELECTRICALLY CONDUCTING POLYANILINE: METHOD FOR EMULSION POLYMERIZATION NESTE OY (FI) 1996-04-10 EP disclosed
WO-1994003528-A1 ELECTRICALLY CONDUCTING POLYANILINE: METHOD FOR EMULSION POLYMERIZATION NESTE OY (FI) 1994-02-17 WO disclosed